8-bromanyl-N-[2-(4-chlorophenyl)ethyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-N-[2-(4-chlorophenyl)ethyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-N-[2-(4-chlorophenyl)ethyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-N-[2-(4-chlorophenyl)ethyl]-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-N-[2-(4-chlorophenyl)ethyl]-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-N-[2-(4-chlorophenyl)ethyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H20BrClN2OS MolecularWeight: 499.8504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C24H20BrClN2OS/c1-2-20-19-14-17(25)6-10-22(19)30-23-9-5-16(13-21(23)28-20)24(29)27-12-11-15-3-7-18(26)8-4-15/h3-10,13-14H,2,11-12H2,1H3,(H,27,29)